#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g s SER 2 N 0.00 6.52 -0.34 1.61 0.15 -1.26 -4.93 113.70 115.45 1x5g s SER 2 Ca 0.00 2.16 -0.28 0.00 0.70 0.00 0.00 55.95 58.53 1x5g s SER 2 Cb 0.00 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1x5g s SER 2 CO 0.00 -0.67 1.99 -0.44 1.20 0.00 0.00 173.24 175.32 1x5g s SER 3 N -1.47 5.57 0.00 5.45 0.01 -1.26 -4.88 113.70 117.12 1x5g s SER 3 Ca 0.60 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1x5g s SER 3 Cb -0.25 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1x5g s SER 3 CO 0.31 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.62 1x5g n GLY 4 N 5.60 -1.78 3.53 3.44 0.00 -1.26 -5.09 105.19 109.63 1x5g n GLY 4 Ca 0.26 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5g s SER 5 N -1.46 -0.36 0.54 1.61 0.15 -1.26 -5.13 113.70 107.78 1x5g s SER 5 Ca 0.00 0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 1x5g s SER 5 Cb 0.00 0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1x5g s SER 5 CO 0.00 -0.53 1.04 -0.44 1.20 0.00 0.00 173.24 174.51 1x5g s SER 6 N -2.11 6.15 0.00 5.45 0.01 -1.26 -5.07 113.70 116.87 1x5g s SER 6 Ca 0.03 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1x5g s SER 6 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x5g s SER 6 CO -0.06 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1x5g n GLY 7 N -0.75 0.66 3.37 3.44 0.00 -1.26 -5.14 105.19 105.51 1x5g n GLY 7 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1x5g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x5g s ARG 8 N 1.90 1.16 -0.10 1.61 3.52 -1.26 -5.16 118.95 120.62 1x5g s ARG 8 Ca 0.00 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1x5g s ARG 8 Cb 0.00 0.49 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1x5g s ARG 8 CO 0.00 -0.47 -0.13 0.14 -0.81 0.00 0.00 175.30 174.03 1x5g s VAL 9 N -3.82 3.09 0.53 7.11 -7.23 -1.26 -5.13 120.40 113.70 1x5g s VAL 9 Ca 0.04 -0.67 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1x5g s VAL 9 Cb 0.01 -2.26 0.10 0.00 0.56 0.00 0.00 36.38 34.78 1x5g s VAL 9 CO -0.10 0.55 0.73 -1.84 -0.31 0.00 0.00 175.10 174.13 1x5g n GLU 10 N 3.05 0.43 -4.07 4.82 0.00 -1.26 -5.13 120.64 118.48 1x5g n GLU 10 Ca -0.18 -2.50 -0.22 0.00 0.00 0.00 0.00 57.16 54.26 1x5g n GLU 10 Cb 0.53 -0.33 -0.05 0.00 0.00 0.00 0.00 31.44 31.58 1x5g n GLU 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1x5g s THR 11 N -2.21 3.61 -0.25 3.84 -4.23 -1.26 -5.14 115.64 110.00 1x5g s THR 11 Ca 0.53 -1.58 -0.28 0.00 -1.18 0.00 0.00 61.69 59.17 1x5g s THR 11 Cb -0.04 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1x5g s THR 11 CO 0.34 -0.26 1.23 0.00 -0.54 0.00 0.00 174.62 175.38 1x5g s GLN 12 N -3.85 0.28 1.12 3.99 -2.07 -1.26 -5.18 119.66 112.69 1x5g s GLN 12 Ca 0.36 0.16 -0.16 0.00 -1.82 0.00 0.00 55.36 53.90 1x5g s GLN 12 Cb -0.05 0.13 0.25 0.00 -1.09 0.00 0.00 33.01 32.24 1x5g s GLN 12 CO 0.24 -0.07 1.10 -1.25 -1.32 0.00 0.00 175.29 173.99 1x5g s PRO 13 N -0.60 -0.53 -0.13 9.60 0.04 -1.26 -5.02 135.00 137.10 1x5g s PRO 13 Ca 0.05 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 1x5g s PRO 13 Cb -0.02 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1x5g s PRO 13 CO -0.07 -3.30 0.36 -1.83 0.04 0.00 0.00 177.00 172.20 1x5g s GLU 14 N -5.21 4.22 0.17 4.56 -1.05 -1.26 -5.08 118.70 115.05 1x5g s GLU 14 Ca 0.68 0.24 -0.03 0.00 -0.15 0.00 0.00 54.97 55.72 1x5g s GLU 14 Cb -0.14 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.12 1x5g s GLU 14 CO 0.57 0.29 0.14 0.08 0.95 0.00 0.00 175.26 177.28 1x5g s VAL 15 N 0.28 0.06 -0.04 1.83 1.01 -1.26 -5.04 120.40 117.24 1x5g s VAL 15 Ca 0.20 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.31 1x5g s VAL 15 Cb -0.14 -2.18 -0.15 0.00 0.00 0.00 0.00 36.38 33.92 1x5g s VAL 15 CO 0.07 -0.26 3.00 0.00 0.00 0.00 0.00 175.10 177.92 1x5g n GLN 16 N -0.19 1.70 -1.81 2.72 0.00 -1.26 -4.92 117.38 113.63 1x5g n GLN 16 Ca -0.03 -0.79 -0.31 0.00 0.00 0.00 0.00 57.00 55.87 1x5g n GLN 16 Cb 0.64 -1.68 0.03 0.00 0.00 0.00 0.00 30.24 29.23 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x5g s LEU 17 N -0.20 3.09 1.07 2.61 1.02 -1.26 -4.35 118.68 120.65 1x5g s LEU 17 Ca 0.44 1.37 -0.14 0.00 0.02 0.00 0.00 54.13 55.81 1x5g s LEU 17 Cb 0.22 -4.30 0.22 0.00 0.02 0.00 0.00 46.19 42.35 1x5g s LEU 17 CO -0.01 -1.14 1.10 -2.16 0.02 0.00 0.00 176.35 174.16 1x5g s PRO 18 N -5.21 -0.13 0.51 1.29 0.04 -1.26 -4.71 135.00 125.53 1x5g s PRO 18 Ca 0.57 0.32 0.08 0.00 0.04 0.00 0.00 61.00 62.01 1x5g s PRO 18 Cb -0.12 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x5g s PRO 18 CO 0.54 -3.07 0.61 0.20 0.04 0.00 0.00 177.00 175.32 1x5g s GLY 19 N -3.58 1.96 0.12 0.56 0.00 -1.26 -3.94 107.32 101.18 1x5g s GLY 19 Ca 0.67 -1.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.24 1x5g s GLY 19 CO 0.57 -1.69 1.36 2.56 0.00 0.00 0.00 173.10 175.90 1x5g s PRO 20 N -4.44 4.34 -0.20 2.90 0.04 -1.26 -4.68 135.00 131.70 1x5g s PRO 20 Ca 0.53 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 63.27 1x5g s PRO 20 Cb -0.06 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 1x5g s PRO 20 CO 0.33 -0.39 2.03 0.00 0.04 0.00 0.00 177.00 179.01 1x5g n ALA 21 N 3.77 1.07 -1.05 8.56 0.00 -1.26 -4.61 120.51 126.99 1x5g n ALA 21 Ca 0.10 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1x5g n ALA 21 Cb 0.43 -2.58 0.21 0.00 0.00 0.00 0.00 19.45 17.51 1x5g n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5g n PRO 22 N 7.46 -2.84 -4.30 0.00 -0.04 -1.20 -4.14 135.00 129.96 1x5g n PRO 22 Ca 0.29 -1.48 -0.31 0.00 -0.04 0.00 0.00 63.50 61.96 1x5g n PRO 22 Cb 0.30 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 1x5g n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5g n ASN 23 N -4.59 0.60 -4.56 3.54 3.02 -1.26 -1.62 115.26 110.38 1x5g n ASN 23 Ca 0.13 -1.25 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1x5g n ASN 23 Cb 0.50 -1.76 -0.03 0.00 -0.61 0.00 0.00 39.78 37.88 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5g s LEU 24 N -7.33 3.28 -0.04 3.41 2.96 -1.26 -4.06 118.68 115.64 1x5g s LEU 24 Ca 0.06 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1x5g s LEU 24 Cb -0.04 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1x5g s LEU 24 CO 0.99 -1.91 -0.10 0.00 -1.32 0.00 0.00 176.35 174.01 1x5g s ARG 25 N 5.94 1.25 -0.03 1.98 1.70 -0.98 -5.02 118.95 123.78 1x5g s ARG 25 Ca 0.49 -0.34 0.02 0.00 -0.47 0.00 0.00 55.73 55.43 1x5g s ARG 25 Cb -0.10 -1.11 0.01 0.00 -0.57 0.00 0.00 34.95 33.17 1x5g s ARG 25 CO 0.20 0.08 -0.08 0.00 -1.08 0.00 0.00 175.30 174.42 1x5g s ALA 26 N 0.41 0.83 -0.02 7.88 0.00 -1.26 -0.50 121.76 129.10 1x5g s ALA 26 Ca -0.08 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1x5g s ALA 26 Cb -0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1x5g s ALA 26 CO 0.02 0.10 -0.09 1.52 0.00 0.00 0.00 175.76 177.30 1x5g s TYR 27 N 0.43 0.92 -0.43 0.00 -0.85 -0.83 -4.98 117.35 111.61 1x5g s TYR 27 Ca -0.07 -0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 55.99 1x5g s TYR 27 Cb -0.11 -0.63 0.01 0.00 0.38 0.00 0.00 41.96 41.61 1x5g s TYR 27 CO 0.01 -0.07 1.44 0.00 -1.52 0.00 0.00 175.55 175.40 1x5g s ALA 28 N 0.05 3.00 0.23 9.51 0.00 -1.26 -1.21 121.76 132.08 1x5g s ALA 28 Ca -0.01 -0.19 0.15 0.00 0.00 0.00 0.00 51.96 51.91 1x5g s ALA 28 Cb -0.07 -3.97 0.56 0.00 0.00 0.00 0.00 23.12 19.65 1x5g s ALA 28 CO 0.00 -2.48 1.70 0.00 0.00 0.00 0.00 175.76 174.98 1x5g h ALA 29 N 10.90 1.02 -2.68 0.00 0.00 -1.89 -3.46 119.26 123.16 1x5g h ALA 29 Ca -0.28 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1x5g h ALA 29 Cb 1.11 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1x5g h ALA 29 CO 1.09 0.59 -0.18 -1.12 0.00 0.00 0.00 179.25 179.63 1x5g s SER 30 N -6.63 -0.09 0.00 0.00 0.01 -1.22 -5.00 113.70 100.77 1x5g s SER 30 Ca -0.01 -0.53 0.15 0.00 1.31 0.00 0.00 55.95 56.87 1x5g s SER 30 Cb 0.12 0.44 0.88 0.00 0.21 0.00 0.00 66.02 67.68 1x5g s SER 30 CO 0.72 -0.86 1.30 -0.81 0.41 0.00 0.00 173.24 174.00 1x5g n PRO 31 N -0.19 0.49 0.00 12.44 -0.04 -1.26 -2.13 135.00 144.30 1x5g n PRO 31 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1x5g n PRO 31 Cb 0.63 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1x5g n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5g n THR 32 N -0.97 0.00 -4.21 0.52 -2.24 -1.26 -2.95 114.28 103.17 1x5g n THR 32 Ca 0.11 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1x5g n THR 32 Cb 0.05 1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1x5g n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5g s SER 33 N -0.13 0.83 -0.16 3.42 1.04 -0.91 0.26 113.70 118.05 1x5g s SER 33 Ca 0.00 -1.52 -0.10 0.00 0.48 0.00 0.00 55.95 54.80 1x5g s SER 33 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1x5g s SER 33 CO 0.00 -0.99 0.40 -0.63 0.98 0.00 0.00 173.24 173.00 1x5g s ILE 34 N -3.76 -0.02 -0.53 -1.02 1.01 0.61 -3.41 121.20 114.08 1x5g s ILE 34 Ca 0.38 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1x5g s ILE 34 Cb 0.04 -0.59 0.13 0.00 0.01 0.00 0.00 42.46 42.05 1x5g s ILE 34 CO 0.19 0.03 0.43 -0.89 0.00 0.00 0.00 174.94 174.70 1x5g s THR 35 N 1.14 4.56 0.05 2.92 2.01 -0.35 -0.07 115.64 125.90 1x5g s THR 35 Ca -0.07 -1.84 -0.21 0.00 0.31 0.00 0.00 61.69 59.87 1x5g s THR 35 Cb -0.07 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1x5g s THR 35 CO -0.10 -0.83 0.62 -0.69 -0.69 0.00 0.00 174.62 172.93 1x5g s VAL 36 N 1.24 4.75 0.17 3.82 1.01 -0.32 -1.97 120.40 129.10 1x5g s VAL 36 Ca 0.07 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.45 1x5g s VAL 36 Cb -0.25 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1x5g s VAL 36 CO -0.01 0.48 -0.16 0.42 0.00 0.00 0.00 175.10 175.84 1x5g s THR 37 N -0.69 1.69 0.06 3.92 -4.23 0.34 -2.00 115.64 114.74 1x5g s THR 37 Ca 0.31 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.60 1x5g s THR 37 Cb -0.20 -1.84 0.08 0.00 1.34 0.00 0.00 72.50 71.89 1x5g s THR 37 CO 0.20 -0.42 0.74 -1.66 -0.54 0.00 0.00 174.62 172.93 1x5g s TRP 38 N -2.33 -0.48 0.34 3.99 -2.14 -0.96 -2.33 118.94 115.03 1x5g s TRP 38 Ca 0.16 0.41 0.08 0.00 2.66 0.00 0.00 56.10 59.41 1x5g s TRP 38 Cb -0.04 0.53 -0.04 0.00 -3.10 0.00 0.00 33.47 30.82 1x5g s TRP 38 CO 0.06 -0.68 0.21 -1.21 -2.66 0.00 0.00 176.95 172.67 1x5g s GLU 39 N -3.05 2.53 0.01 3.25 0.41 -0.64 -4.76 118.70 116.45 1x5g s GLU 39 Ca 0.01 -1.43 -0.24 0.00 -0.41 0.00 0.00 54.97 52.90 1x5g s GLU 39 Cb -0.01 -2.31 -0.05 0.00 -1.78 0.00 0.00 34.13 29.98 1x5g s GLU 39 CO -0.08 0.10 0.72 0.99 -0.49 0.00 0.00 175.26 176.50 1x5g s THR 40 N -2.37 4.84 -0.35 3.63 2.01 -1.26 -3.22 115.64 118.92 1x5g s THR 40 Ca 0.39 1.51 -0.28 0.00 0.31 0.00 0.00 61.69 63.62 1x5g s THR 40 Cb -0.04 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 1x5g s THR 40 CO 0.24 0.35 1.70 -2.16 -0.69 0.00 0.00 174.62 174.06 1x5g s PRO 41 N 0.13 3.40 0.31 4.92 0.04 -1.26 -4.67 135.00 137.86 1x5g s PRO 41 Ca 0.37 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1x5g s PRO 41 Cb -0.19 -4.15 0.83 0.00 0.04 0.00 0.00 34.50 31.02 1x5g s PRO 41 CO 0.21 -1.78 1.70 -0.39 0.04 0.00 0.00 177.00 176.77 1x5g h VAL 42 N 6.72 0.45 -3.78 -0.36 -1.51 -1.94 -3.41 116.25 112.42 1x5g h VAL 42 Ca -0.32 -0.15 -0.44 0.00 -1.23 0.00 0.00 66.70 64.56 1x5g h VAL 42 Cb 1.15 -0.01 0.17 0.00 -2.13 0.00 0.00 31.29 30.47 1x5g h VAL 42 CO 1.05 0.08 0.19 -0.44 -1.23 0.00 0.00 177.57 177.21 1x5g s SER 43 N -5.13 2.06 0.00 4.19 0.01 -1.26 -4.96 113.70 108.61 1x5g s SER 43 Ca -0.11 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x5g s SER 43 Cb 0.27 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1x5g s SER 43 CO 0.79 -3.45 0.00 0.61 0.41 0.00 0.00 173.24 171.60 1x5g n GLY 44 N -1.28 0.15 2.79 3.44 0.00 -1.26 -4.40 105.19 104.63 1x5g n GLY 44 Ca 0.09 -2.28 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1x5g n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5g s ASN 45 N -4.00 0.46 0.24 1.61 3.84 -1.26 -5.01 114.94 110.82 1x5g s ASN 45 Ca 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.06 1x5g s ASN 45 Cb 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.51 1x5g s ASN 45 CO 0.00 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 1x5g n GLY 46 N 4.29 -0.00 3.39 1.21 0.00 -1.26 -4.85 105.19 107.96 1x5g n GLY 46 Ca -0.24 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 1x5g n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5g s GLU 47 N 0.00 1.56 0.19 1.61 2.12 -1.26 -5.11 118.70 117.81 1x5g s GLU 47 Ca 0.00 -1.26 -0.30 0.00 0.36 0.00 0.00 54.97 53.77 1x5g s GLU 47 Cb 0.00 -1.95 -0.08 0.00 0.26 0.00 0.00 34.13 32.36 1x5g s GLU 47 CO 0.00 0.47 1.20 0.42 -0.54 0.00 0.00 175.26 176.81 1x5g s ILE 48 N -0.99 3.53 -0.09 -3.70 -1.09 -1.26 -4.64 121.20 112.96 1x5g s ILE 48 Ca 0.14 1.30 -0.24 0.00 -2.23 0.00 0.00 60.65 59.62 1x5g s ILE 48 Cb -0.10 -3.83 -0.29 0.00 -1.58 0.00 0.00 42.46 36.66 1x5g s ILE 48 CO 0.05 0.21 0.81 1.56 -1.23 0.00 0.00 174.94 176.35 1x5g h GLN 49 N 5.16 0.19 -3.06 2.79 4.20 -0.92 -3.49 115.11 119.98 1x5g h GLN 49 Ca -0.45 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 57.97 1x5g h GLN 49 Cb 1.21 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 29.03 1x5g h GLN 49 CO 0.74 1.15 0.19 0.54 -0.67 0.00 0.00 178.83 180.78 1x5g s ASN 50 N -6.72 -0.36 -0.22 1.46 4.22 -0.71 -5.04 114.94 107.56 1x5g s ASN 50 Ca -0.16 -0.39 -0.01 0.00 -2.14 0.00 0.00 52.86 50.16 1x5g s ASN 50 Cb -0.00 0.66 0.02 0.00 1.28 0.00 0.00 41.25 43.21 1x5g s ASN 50 CO 0.77 -1.17 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.25 1x5g s TYR 51 N -3.86 2.96 -0.29 1.54 2.02 -1.19 -1.78 117.35 116.76 1x5g s TYR 51 Ca 0.08 -1.49 -0.19 0.00 -0.37 0.00 0.00 57.07 55.10 1x5g s TYR 51 Cb -0.03 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1x5g s TYR 51 CO -0.01 -0.72 0.58 0.21 -1.57 0.00 0.00 175.55 174.03 1x5g s LYS 52 N 1.34 3.93 -0.22 -0.62 2.47 -0.19 -2.76 119.74 123.69 1x5g s LYS 52 Ca 0.02 0.26 -0.06 0.00 -1.56 0.00 0.00 55.97 54.64 1x5g s LYS 52 Cb -0.15 -3.71 -0.02 0.00 -1.46 0.00 0.00 37.83 32.49 1x5g s LYS 52 CO -0.07 -0.50 0.02 -1.17 0.16 0.00 0.00 175.35 173.79 1x5g s LEU 53 N 2.48 3.28 0.18 5.43 2.96 -0.99 -0.92 118.68 131.10 1x5g s LEU 53 Ca 0.23 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1x5g s LEU 53 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1x5g s LEU 53 CO 0.11 0.03 0.20 -0.31 -1.32 0.00 0.00 176.35 175.06 1x5g s TYR 54 N 1.23 3.25 -0.26 5.38 1.51 -0.83 -0.56 117.35 127.07 1x5g s TYR 54 Ca 0.04 -0.00 -0.18 0.00 -1.01 0.00 0.00 57.07 55.92 1x5g s TYR 54 Cb -0.15 -1.54 0.07 0.00 -0.11 0.00 0.00 41.96 40.24 1x5g s TYR 54 CO 0.02 0.51 0.65 1.52 -1.11 0.00 0.00 175.55 177.14 1x5g s TYR 55 N -1.84 -0.90 0.13 2.71 1.13 -1.23 -3.18 117.35 114.17 1x5g s TYR 55 Ca 0.32 1.93 -0.15 0.00 -1.41 0.00 0.00 57.07 57.77 1x5g s TYR 55 Cb -0.10 0.46 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1x5g s TYR 55 CO 0.25 -0.45 0.37 0.00 -2.51 0.00 0.00 175.55 173.22 1x5g s MET 56 N 1.16 1.06 -0.04 -3.49 0.23 -0.89 -3.01 119.30 114.31 1x5g s MET 56 Ca -0.06 -0.78 -0.20 0.00 -1.03 0.00 0.00 55.69 53.62 1x5g s MET 56 Cb -0.05 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1x5g s MET 56 CO -0.12 -0.41 0.56 -2.00 -2.03 0.00 0.00 175.02 171.02 1x5g s GLU 57 N -3.83 4.30 -0.61 3.16 2.12 -1.26 -0.54 118.70 122.04 1x5g s GLU 57 Ca 0.04 0.64 -0.26 0.00 0.36 0.00 0.00 54.97 55.75 1x5g s GLU 57 Cb 0.02 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.94 1x5g s GLU 57 CO -0.11 0.31 2.44 1.17 -0.54 0.00 0.00 175.26 178.54 1x5g n LYS 58 N 3.01 0.82 0.00 4.30 3.00 -1.22 -2.26 118.16 125.81 1x5g n LYS 58 Ca -0.07 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1x5g n LYS 58 Cb 0.51 -3.22 0.00 0.00 0.00 0.00 0.00 35.03 32.32 1x5g n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5g n GLY 59 N 6.18 1.07 0.00 3.14 0.00 -1.26 -4.53 105.19 109.80 1x5g n GLY 59 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1x5g n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5g n THR 60 N -0.01 0.00 -2.48 2.61 -1.04 -0.96 -5.03 114.28 107.37 1x5g n THR 60 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1x5g n THR 60 Cb 0.00 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1x5g n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5g n ASP 61 N -1.47 -4.72 -3.52 8.00 2.03 -1.26 -4.99 116.55 110.62 1x5g n ASP 61 Ca 0.00 -0.08 -0.10 0.00 0.52 0.00 0.00 54.79 55.13 1x5g n ASP 61 Cb 0.31 -3.76 -0.09 0.00 -0.72 0.00 0.00 41.12 36.86 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x5g s LYS 62 N -4.98 0.31 0.15 -0.67 -0.14 -1.26 -5.16 119.74 107.99 1x5g s LYS 62 Ca 0.08 0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 55.43 1x5g s LYS 62 Cb -0.03 -0.11 -0.05 0.00 -1.68 0.00 0.00 37.83 35.96 1x5g s LYS 62 CO 0.10 -0.44 0.34 -2.00 -0.76 0.00 0.00 175.35 172.59 1x5g s GLU 63 N 2.55 3.53 0.52 1.68 2.56 -1.26 -4.67 118.70 123.62 1x5g s GLU 63 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 54.97 54.75 1x5g s GLU 63 Cb -0.14 -2.89 0.02 0.00 2.00 0.00 0.00 34.13 33.12 1x5g s GLU 63 CO -0.14 0.47 0.15 1.04 -0.56 0.00 0.00 175.26 176.23 1x5g n GLN 64 N -0.21 0.75 -3.74 4.30 6.02 -1.16 -4.96 117.38 118.37 1x5g n GLN 64 Ca -0.04 -3.55 -0.13 0.00 -0.01 0.00 0.00 57.00 53.28 1x5g n GLN 64 Cb 0.53 0.74 -0.11 0.00 1.02 0.00 0.00 30.24 32.42 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1x5g s ASP 65 N -3.91 -0.39 0.05 1.08 -4.77 -1.26 -3.49 116.67 103.97 1x5g s ASP 65 Ca 0.12 0.74 0.03 0.00 -3.30 0.00 0.00 52.55 50.14 1x5g s ASP 65 Cb -0.01 0.72 -0.02 0.00 -1.09 0.00 0.00 42.92 42.52 1x5g s ASP 65 CO 0.07 -0.14 -0.10 0.68 0.70 0.00 0.00 175.17 176.38 1x5g s VAL 66 N 0.42 0.76 -0.17 2.11 -7.23 0.27 -4.97 120.40 111.59 1x5g s VAL 66 Ca -0.02 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.83 1x5g s VAL 66 Cb -0.04 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 1x5g s VAL 66 CO -0.02 -0.26 0.82 -0.62 -0.31 0.00 0.00 175.10 174.71 1x5g s ASP 67 N -1.47 6.94 -0.06 4.85 2.15 -1.26 -2.33 116.67 125.48 1x5g s ASP 67 Ca -0.06 1.15 0.02 0.00 0.43 0.00 0.00 52.55 54.10 1x5g s ASP 67 Cb -0.09 -2.45 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1x5g s ASP 67 CO 0.01 -0.39 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.82 1x5g s VAL 68 N 2.15 0.99 -0.11 1.11 1.01 -1.11 -5.01 120.40 119.43 1x5g s VAL 68 Ca 0.38 -0.39 0.20 0.00 0.00 0.00 0.00 61.98 62.17 1x5g s VAL 68 Cb -0.16 -0.92 -0.24 0.00 0.00 0.00 0.00 36.38 35.05 1x5g s VAL 68 CO 0.12 0.32 0.52 -1.20 0.00 0.00 0.00 175.10 174.86 1x5g n SER 69 N 3.89 0.26 -4.95 3.32 7.64 -1.26 -3.18 113.62 119.34 1x5g n SER 69 Ca -0.23 0.11 -0.19 0.00 1.01 0.00 0.00 58.87 59.56 1x5g n SER 69 Cb 0.51 1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 64.96 1x5g n SER 69 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5g s SER 70 N -5.06 5.73 -0.01 6.43 0.15 -1.26 -4.96 113.70 114.72 1x5g s SER 70 Ca -0.07 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1x5g s SER 70 Cb 0.11 -1.09 0.10 0.00 -1.71 0.00 0.00 66.02 63.42 1x5g s SER 70 CO 0.86 -0.45 0.96 1.41 1.20 0.00 0.00 173.24 177.23 1x5g n HIS 71 N -1.58 0.18 -3.60 3.44 -0.00 -1.26 -4.66 115.22 107.73 1x5g n HIS 71 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 57.72 57.55 1x5g n HIS 71 Cb 0.59 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5g s SER 72 N -0.75 0.01 0.21 0.41 1.04 -1.26 -2.26 113.70 111.09 1x5g s SER 72 Ca 0.07 0.74 0.09 0.00 0.48 0.00 0.00 55.95 57.33 1x5g s SER 72 Cb 0.04 1.14 -0.05 0.00 0.10 0.00 0.00 66.02 67.25 1x5g s SER 72 CO 0.04 -0.25 -0.18 -0.47 0.98 0.00 0.00 173.24 173.36 1x5g s TYR 73 N 2.55 1.94 -0.12 5.02 5.04 -0.84 -5.01 117.35 125.92 1x5g s TYR 73 Ca 0.02 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1x5g s TYR 73 Cb -0.13 -0.91 0.02 0.00 0.35 0.00 0.00 41.96 41.30 1x5g s TYR 73 CO -0.12 0.45 -0.11 0.99 -1.34 0.00 0.00 175.55 175.41 1x5g s THR 74 N -2.43 1.28 -0.26 4.34 2.01 -1.26 -1.17 115.64 118.16 1x5g s THR 74 Ca 0.22 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1x5g s THR 74 Cb -0.04 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1x5g s THR 74 CO 0.09 0.41 0.20 -0.63 -0.69 0.00 0.00 174.62 174.00 1x5g s ILE 75 N 1.43 5.31 0.23 1.82 1.01 0.90 -4.90 121.20 127.00 1x5g s ILE 75 Ca 0.01 0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1x5g s ILE 75 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1x5g s ILE 75 CO -0.07 0.28 0.10 0.20 0.00 0.00 0.00 174.94 175.46 1x5g s ASN 76 N 1.42 5.16 0.00 3.58 0.01 -1.26 -0.29 114.94 123.56 1x5g s ASN 76 Ca 0.09 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1x5g s ASN 76 Cb -0.15 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.30 1x5g s ASN 76 CO 0.08 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1x5g n GLY 77 N -0.79 0.53 3.44 0.66 0.00 -0.26 -4.96 105.19 103.81 1x5g n GLY 77 Ca -0.08 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1x5g n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5g s LEU 78 N -0.69 2.35 0.57 0.99 1.43 0.14 -5.02 118.68 118.45 1x5g s LEU 78 Ca 0.00 -1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 51.73 1x5g s LEU 78 Cb 0.00 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1x5g s LEU 78 CO 0.00 -0.49 0.93 -0.54 0.23 0.00 0.00 176.35 176.48 1x5g s LYS 79 N -3.81 3.53 0.10 1.70 1.02 -1.26 -4.37 119.74 116.65 1x5g s LYS 79 Ca 0.33 0.49 -0.27 0.00 0.02 0.00 0.00 55.97 56.54 1x5g s LYS 79 Cb 0.07 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 1x5g s LYS 79 CO 0.14 -0.44 0.83 0.15 -0.92 0.00 0.00 175.35 175.10 1x5g s LYS 80 N -5.00 4.59 -1.34 1.68 3.01 -1.15 -3.84 119.74 117.69 1x5g s LYS 80 Ca 0.52 1.22 -0.07 0.00 -1.01 0.00 0.00 55.97 56.63 1x5g s LYS 80 Cb -0.11 -3.34 0.02 0.00 -1.01 0.00 0.00 37.83 33.39 1x5g s LYS 80 CO 0.50 0.35 1.08 0.98 0.51 0.00 0.00 175.35 178.77 1x5g n TYR 81 N 2.42 -2.57 -5.10 3.18 9.36 -0.82 -4.90 117.16 118.74 1x5g n TYR 81 Ca -0.02 0.97 -0.29 0.00 3.32 0.00 0.00 57.90 61.88 1x5g n TYR 81 Cb 0.49 -4.87 -0.16 0.00 -0.63 0.00 0.00 39.34 34.17 1x5g n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1x5g s THR 82 N -3.35 1.79 0.45 2.97 2.01 -1.25 -4.79 115.64 113.46 1x5g s THR 82 Ca 0.40 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1x5g s THR 82 Cb -0.18 -1.51 -0.10 0.00 0.01 0.00 0.00 72.50 70.72 1x5g s THR 82 CO 0.75 0.50 1.00 -0.70 -0.69 0.00 0.00 174.62 175.48 1x5g s GLU 83 N -0.23 4.04 -0.14 4.92 2.12 -1.26 -2.26 118.70 125.89 1x5g s GLU 83 Ca 0.01 1.29 -0.07 0.00 0.36 0.00 0.00 54.97 56.55 1x5g s GLU 83 Cb -0.11 -2.21 0.06 0.00 0.26 0.00 0.00 34.13 32.12 1x5g s GLU 83 CO 0.02 -0.21 0.32 0.71 -0.54 0.00 0.00 175.26 175.55 1x5g s TYR 84 N -2.00 -0.48 0.16 5.30 2.02 -0.53 -3.46 117.35 118.36 1x5g s TYR 84 Ca 0.63 1.05 -0.27 0.00 -0.37 0.00 0.00 57.07 58.12 1x5g s TYR 84 Cb -0.14 0.13 -0.08 0.00 -0.40 0.00 0.00 41.96 41.47 1x5g s TYR 84 CO 0.18 -0.31 0.82 0.45 -1.57 0.00 0.00 175.55 175.12 1x5g s SER 85 N 1.62 7.43 -0.01 2.29 0.15 0.29 -1.85 113.70 123.63 1x5g s SER 85 Ca -0.07 1.69 0.02 0.00 0.70 0.00 0.00 55.95 58.29 1x5g s SER 85 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5g s SER 85 CO -0.10 0.15 -0.05 -0.36 1.20 0.00 0.00 173.24 174.07 1x5g s PHE 86 N -0.88 0.52 -0.10 3.44 0.08 -0.84 -2.10 117.98 118.09 1x5g s PHE 86 Ca 0.38 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.28 1x5g s PHE 86 Cb -0.23 -0.37 0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1x5g s PHE 86 CO 0.27 -0.04 0.24 -0.98 -0.10 0.00 0.00 175.22 174.61 1x5g s ARG 87 N 0.06 0.21 -0.02 0.44 1.70 -1.19 -0.16 118.95 119.98 1x5g s ARG 87 Ca -0.00 0.48 -0.09 0.00 -0.47 0.00 0.00 55.73 55.65 1x5g s ARG 87 Cb -0.04 -0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.20 1x5g s ARG 87 CO -0.00 -0.14 0.29 0.08 -1.08 0.00 0.00 175.30 174.44 1x5g s VAL 88 N 1.07 5.26 -0.04 4.99 1.01 -1.26 -1.96 120.40 129.47 1x5g s VAL 88 Ca -0.08 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1x5g s VAL 88 Cb -0.09 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1x5g s VAL 88 CO -0.07 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1x5g s VAL 89 N -1.17 0.66 -0.04 2.92 1.01 -0.10 -2.58 120.40 121.09 1x5g s VAL 89 Ca 0.24 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1x5g s VAL 89 Cb -0.14 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1x5g s VAL 89 CO 0.12 0.24 0.66 0.00 0.00 0.00 0.00 175.10 176.12 1x5g s ALA 90 N 0.69 3.39 -0.19 5.51 0.00 -1.26 -1.02 121.76 128.89 1x5g s ALA 90 Ca -0.10 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1x5g s ALA 90 Cb -0.13 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1x5g s ALA 90 CO 0.01 -0.00 -0.15 0.71 0.00 0.00 0.00 175.76 176.32 1x5g s TYR 91 N 0.43 2.61 0.22 0.00 1.51 -0.73 -3.13 117.35 118.25 1x5g s TYR 91 Ca 0.35 -1.61 0.01 0.00 -1.01 0.00 0.00 57.07 54.81 1x5g s TYR 91 Cb -0.18 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.84 1x5g s TYR 91 CO 0.18 -0.77 0.05 0.54 -1.11 0.00 0.00 175.55 174.44 1x5g s ASN 92 N 1.34 1.15 0.36 2.29 4.22 -1.25 -0.17 114.94 122.88 1x5g s ASN 92 Ca 0.02 -1.29 0.21 0.00 -2.14 0.00 0.00 52.86 49.66 1x5g s ASN 92 Cb -0.14 0.15 1.32 0.00 1.28 0.00 0.00 41.25 43.86 1x5g s ASN 92 CO -0.10 -0.66 1.55 2.29 -2.04 0.00 0.00 177.10 178.13 1x5g n LYS 93 N -0.35 -0.06 0.13 3.55 -0.00 -1.26 -1.07 118.16 119.10 1x5g n LYS 93 Ca -0.03 1.35 -0.05 0.00 -0.00 0.00 0.00 58.31 59.58 1x5g n LYS 93 Cb 0.65 -2.43 -0.02 0.00 -0.00 0.00 0.00 35.03 33.23 1x5g n LYS 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5g h HIS 94 N 0.00 -0.31 0.00 5.58 3.86 -1.93 -3.49 115.15 118.85 1x5g h HIS 94 Ca 0.83 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 60.04 1x5g h HIS 94 Cb 2.22 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.79 1x5g h HIS 94 CO -0.01 -0.19 0.00 0.41 0.86 0.00 0.00 177.93 179.00 1x5g n GLY 95 N -1.05 0.80 3.55 2.45 0.00 -0.23 -5.07 105.19 105.64 1x5g n GLY 95 Ca -0.04 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1x5g n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 96 N -2.00 2.61 0.00 1.61 0.04 -1.26 -3.96 135.00 132.04 1x5g s PRO 96 Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1x5g s PRO 96 Cb 0.00 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1x5g s PRO 96 CO 0.00 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1x5g n GLY 97 N 5.97 -3.06 3.04 0.56 0.00 -1.18 -4.97 105.19 105.55 1x5g n GLY 97 Ca 0.25 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 1x5g n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x5g n VAL 98 N -2.61 0.00 -4.74 1.61 0.24 -1.25 -4.78 118.33 106.79 1x5g n VAL 98 Ca 0.00 -0.09 -0.25 0.00 -2.04 0.00 0.00 64.34 61.97 1x5g n VAL 98 Cb 0.00 -0.36 -0.16 0.00 -1.47 0.00 0.00 33.84 31.86 1x5g n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5g s SER 99 N -1.62 1.95 0.87 -1.34 0.15 -1.26 -4.52 113.70 107.92 1x5g s SER 99 Ca 0.36 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 1x5g s SER 99 Cb -0.03 -0.50 0.08 0.00 -1.71 0.00 0.00 66.02 63.86 1x5g s SER 99 CO 0.43 0.14 0.95 0.35 1.20 0.00 0.00 173.24 176.31 1x5g n THR 100 N 3.13 0.90 -2.21 6.45 -2.24 -1.07 -4.92 114.28 114.32 1x5g n THR 100 Ca -0.18 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1x5g n THR 100 Cb 0.53 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1x5g n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x5g s PRO 101 N -4.06 4.37 0.06 -0.78 0.04 -1.26 -4.70 135.00 128.67 1x5g s PRO 101 Ca 0.67 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 63.42 1x5g s PRO 101 Cb -0.26 -3.22 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 1x5g s PRO 101 CO 0.57 -0.31 0.83 -0.25 0.04 0.00 0.00 177.00 177.88 1x5g n ASP 102 N 3.09 -0.41 -3.94 6.66 9.92 -1.26 -4.80 116.55 125.80 1x5g n ASP 102 Ca 0.08 1.08 -0.30 0.00 -0.53 0.00 0.00 54.79 55.12 1x5g n ASP 102 Cb 0.43 -0.87 -0.12 0.00 -0.64 0.00 0.00 41.12 39.91 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5g s VAL 103 N -0.32 2.99 -0.10 2.53 1.01 0.77 -4.86 120.40 122.41 1x5g s VAL 103 Ca 0.77 -3.96 -0.30 0.00 0.00 0.00 0.00 61.98 58.49 1x5g s VAL 103 Cb -1.08 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1x5g s VAL 103 CO 0.53 -0.96 1.08 0.00 0.00 0.00 0.00 175.10 175.76 1x5g s ALA 104 N -1.11 3.46 0.02 5.51 0.00 -1.25 -1.99 121.76 126.40 1x5g s ALA 104 Ca 0.23 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1x5g s ALA 104 Cb -0.11 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1x5g s ALA 104 CO -0.12 -0.71 -0.09 0.54 0.00 0.00 0.00 175.76 175.39 1x5g s VAL 105 N 2.22 0.66 -0.12 0.00 0.11 -0.77 -4.88 120.40 117.62 1x5g s VAL 105 Ca 0.51 -0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 58.71 1x5g s VAL 105 Cb -0.20 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1x5g s VAL 105 CO 0.18 -0.04 0.42 -0.60 -3.33 0.00 0.00 175.10 171.73 1x5g s ARG 106 N -0.81 4.29 0.99 1.54 3.52 -1.26 -1.45 118.95 125.76 1x5g s ARG 106 Ca -0.01 0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 1x5g s ARG 106 Cb -0.06 -3.42 0.19 0.00 -1.56 0.00 0.00 34.95 30.10 1x5g s ARG 106 CO 0.00 0.22 1.18 0.95 -0.81 0.00 0.00 175.30 176.85 1x5g s THR 107 N 0.45 1.91 0.46 4.11 -4.23 -0.96 -4.76 115.64 112.62 1x5g s THR 107 Ca 0.23 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.54 1x5g s THR 107 Cb -0.15 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.83 1x5g s THR 107 CO 0.09 0.00 0.98 -0.76 -0.54 0.00 0.00 174.62 174.39 1x5g s LEU 108 N -6.19 3.85 -0.29 4.79 1.43 -1.26 -3.62 118.68 117.39 1x5g s LEU 108 Ca 0.68 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 1x5g s LEU 108 Cb -0.10 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1x5g s LEU 108 CO 0.54 -0.53 0.28 -0.55 0.23 0.00 0.00 176.35 176.32 1x5g s SER 109 N -2.31 6.12 -0.13 2.29 0.15 -1.26 -1.95 113.70 116.61 1x5g s SER 109 Ca 0.63 0.02 -0.06 0.00 0.70 0.00 0.00 55.95 57.23 1x5g s SER 109 Cb -0.11 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1x5g s SER 109 CO 0.19 -0.15 -0.11 -0.78 1.20 0.00 0.00 173.24 173.59 1x5g h ASP 110 N 8.33 0.00 -3.48 5.45 3.58 -1.92 -3.46 116.42 124.92 1x5g h ASP 110 Ca -0.33 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.58 1x5g h ASP 110 Cb 1.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 1x5g h ASP 110 CO 0.61 0.68 0.34 -0.55 -2.88 0.00 0.00 179.24 177.45 1x5g s SER 111 N -5.69 7.41 0.10 2.28 0.15 -1.26 -5.04 113.70 111.64 1x5g s SER 111 Ca -0.10 1.69 -0.15 0.00 0.70 0.00 0.00 55.95 58.09 1x5g s SER 111 Cb 0.01 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1x5g s SER 111 CO 0.16 -0.15 0.51 -0.83 1.20 0.00 0.00 173.24 174.13 1x5g s GLY 112 N 0.49 2.48 0.57 9.45 0.00 -1.26 -5.07 107.32 113.98 1x5g s GLY 112 Ca 0.48 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 1x5g s GLY 112 CO 0.28 0.16 1.12 2.56 0.00 0.00 0.00 173.10 177.23 1x5g s PRO 113 N -1.67 3.23 0.30 2.90 0.04 -1.26 -5.06 135.00 133.48 1x5g s PRO 113 Ca 0.34 1.56 0.10 0.00 0.04 0.00 0.00 61.00 63.03 1x5g s PRO 113 Cb -0.16 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1x5g s PRO 113 CO 0.18 -0.94 -0.08 -1.54 0.04 0.00 0.00 177.00 174.67 1x5g s SER 114 N -1.96 4.03 -0.23 6.66 1.04 -1.26 -5.15 113.70 116.83 1x5g s SER 114 Ca 0.71 -0.93 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1x5g s SER 114 Cb -0.23 -0.52 0.06 0.00 0.10 0.00 0.00 66.02 65.43 1x5g s SER 114 CO 0.30 -0.07 0.64 -0.55 0.98 0.00 0.00 173.24 174.54 1x5g s SER 115 N -3.62 -0.66 0.00 7.02 0.15 -1.26 -5.36 113.70 109.96 1x5g s SER 115 Ca 0.32 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1x5g s SER 115 Cb -0.03 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1x5g s SER 115 CO 0.18 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.99